2-octan-3-ylcyclopenta-1,3-diene; zirconium(2+); dichloride

Systemtic Name: 2-octan-3-ylcyclopenta-1,3-diene; zirconium(2+); dichloride Openeye Name: 2-(1-ethylhexyl)cyclopenta-1,3-diene; zirconium(2+); dichloride CAS Name: 2-octan-3-ylcyclopenta-1,3-diene; zirconium(2+); dichloride IUPAC Name: 2-octan-3-ylcyclopenta-1,3-diene; zirconium(2+); dichloride Traditional Name: 2-(1-ethylhexyl)cyclopenta-1,3-diene; zirconium(2+); dichloride Formula: C26H42Cl2Zr-2 MolecularWeight: 516.74168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=[C-]CC=C1.CCCCCC(CC)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCCCCC(CC)C1=[C-]CC=C1.CCCCCC(CC)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C13H21.2ClH.Zr/c2*1-3-5-6-9-12(4-2)13-10-7-8-11-13;;;/h2*7,10,12H,3-6,8-9H2,1-2H3;2*1H;/q2*-1;;;+2/p-2